rel-(3aR,6aR)-2-[(1-ethyl-1H-indol-3-yl)methyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-[(1-ethyl-1H-indol-3-yl)methyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-[(1-ethyl-1H-indol-3-yl)methyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0502 |
| Compound Name: | rel-(3aR,6aR)-2-[(1-ethyl-1H-indol-3-yl)methyl]-N,N-dimethyl-5-(pyridine-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | CCn1cc(CN2C[C@@H]3CN(C[C@@]3(C2)C(N(C)C)=O)C(c2ccncc2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.983 |
| logD: | -6.5314 |
| logSw: | -1.4746 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.971 |
| InChI Key: | MPLJGOVXCPHSEE-RLWLMLJZSA-N |